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18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoic acid - 97%, high purity , CAS No.1169630-40-3

COA

Grade & Purity:

≥97%

Cas Number: 1169630-40-3
Molecular Weight: 830.96
EC Number: 815-717-1
PubChem CID: 86644536

In stock

Item Number

E627091

Grouped product items
SKU	Size	Availability	Price
E627091-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
E627091-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,599.90
E627091-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,666.90

Basic Description

Synonyms	AS-79906 \| SCHEMBL433742 \| 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoic acid \| 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dio
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Glutamine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Glutamine and derivatives
Alternative Parents	N-acyl-L-alpha-amino acids Tricarboxylic acids and derivatives Pyrrolidine-2-ones N-acyl amines Dicarboximides Secondary carboxylic acid amides Lactams Dialkyl ethers Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteromonocyclic compounds
Substituents	Glutamine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Tricarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Pyrrolidone - Fatty acyl - 2-pyrrolidone - Dicarboximide - Pyrrolidine - Lactam - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Dialkyl ether - Carboxylic acid - Organoheterocyclic compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as glutamine and derivatives. These are compounds containing glutamine or a derivative thereof resulting from reaction of glutamine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
INCHI	InChI=1S/C39H66N4O15/c44-32(18-17-31(39(52)53)42-33(45)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-37(49)50)40-21-23-54-25-27-56-29-34(46)41-22-24-55-26-28-57-30-38(51)58-43-35(47)19-20-36(43)48/h31H,1-30H2,(H,40,44)(H,41,46)(H,42,45)(H,49,50)(H,52,53)/t31-/m0/s1
InChIKey	DVGUZQKRMQLDDD-HKBQPEDESA-N
Smiles	C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCC(C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O
Isomeric SMILES	C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O
Alternate CAS	1169630-40-3
PubChem CID	86644536
Molecular Weight	830.96

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	831.000 g/mol
XLogP3	3.200
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	40
Exact Mass	830.452 Da
Monoisotopic Mass	830.452 Da
Topological Polar Surface Area	263.000 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1220.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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